You're currently viewing an old version of this dataset. To see the current version, click here.

QM9: A Quantum Chemistry Benchmark Dataset

QM9 is a quantum chemistry benchmark dataset containing 134k stable small organic molecules.

Data and Resources

This dataset has no data

Cite this as

Raghunathan Ramakrishnan, Pavlo O Dral, Matthias Rupp, O Anatole Von Lilienfeld (2025). Dataset: QM9: A Quantum Chemistry Benchmark Dataset. https://doi.org/10.57702/biyhzff4

Private DOI This DOI is not yet resolvable.
It is available for use in manuscripts, and will be published when the Dataset is made public.

Additional Info

Field	Value
Created	January 3, 2025
Last update	January 3, 2025
Defined In	https://doi.org/10.48550/arXiv.2307.06235
Author	Raghunathan Ramakrishnan
More Authors	Pavlo O Dral Matthias Rupp O Anatole Von Lilienfeld
Homepage	https://doi.org/10.1038/s41586-014-0170-3